N-[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)-3-chlorophenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(4-acetylpiperazino)-3-chloro-phenyl]-4-morpholino-3-nitro-benzamide Formula: C23H26ClN5O5 MolecularWeight: 487.93604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H26ClN5O5/c1-16(30)26-6-8-27(9-7-26)20-5-3-18(15-19(20)24)25-23(31)17-2-4-21(22(14-17)29(32)33)28-10-12-34-13-11-28/h2-5,14-15H,6-13H2,1H3,(H,25,31)